⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL3875794 | 1.00 | — | — | |
| SCHEMBL3875790 | 1.00 | — | — | |
| Sulfuric Acid SCHEMBL1508822 | 0.79 | CA5A (0.40) | — | |
| Sulfuric Acid SCHEMBL1508546 | 0.79 | CA5A (0.40) | — | |
| SCHEMBL1010259 | 0.79 | SLC22A6 (0.36) | — | |
| SCHEMBL11144259 | 0.78 | TP53 (0.38) | — | |
| SCHEMBL9722366 | 0.78 | — | — | |
| SCHEMBL28370787 | 0.77 | LTA4H (0.35) | — | |
| SCHEMBL24485090 | 0.76 | — | — | |
| SCHEMBL475683 | 0.76 | — | — |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| JP-3118319-A | — | — | None | — | — | JP | disclosed |
| JP-2243619-A | — | — | None | — | — | JP | disclosed |
| JP-H03118319-A | ANTIPHLOGISTICS, AGENT FOR SUPPRESSING SECRETION OF GASTRIC JUICE OR AGENT FOR SUPPRESSING PRODUCTION OF ACTIVE OXYGEN | GREEN CROSS CORP:THE | 1991-05-20 | — | — | JP | disclosed |
| JP-H02243619-A | PLATELET COAGULATION INHIBITOR | GREEN CROSS CORP:THE | 1990-09-27 | — | — | JP | disclosed |